Structure Database (LMSD)

Common Name
16-fluoro-9Z-hexadecenoic acid
Systematic Name
16-fluoro-9Z-hexadecenoic acid
Synonyms
  • 16:1(9Z)(16F)
LM ID
LMFA01090050
Formula
C16H29FO2
Exact Mass
Calculate m/z
272.215158
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dichapetalum (#4314)
Magnoliopsida (#3398)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

String Representations

InChiKey (Click to copy)
RDQBKFIOEQYUSG-IWQZZHSRSA-N
InChi (Click to copy)
InChI=1S/C16H29FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15H2,(H,18,19)/b3-1-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCCCCF)(=O)O

Other Databases

PubChem CID
56935805

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 303.73
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.56
Molar Refractivity 78.64

Admin

Created at
-
Updated at
-